SCHEMBL4192449

SCHEMBL4192449

F[C](F)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
ALDH1A1 P00352 3/20 0.54
FFAR1 O14842 2/20 0.54
TDP1 Q9NUW8 3/20 0.52
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HPGD P15428 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8380100 0.85 HDAC1 (0.61) KEAP1TDP1HDAC2HDAC8HDAC6
SCHEMBL17288773 0.83 MAPT (0.61) TDP1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL17288634 0.81 MAPT (0.64) HDAC2HDAC8HDAC6SMN1; SMN2HDAC1
SCHEMBL17288871 0.81 MAPT (0.64) HDAC2HDAC8HDAC6SMN1; SMN2HDAC1
SCHEMBL17288948 0.81 MAPT (0.64) HDAC2HDAC8HDAC6SMN1; SMN2HDAC1
SCHEMBL1498978 0.80 KEAP1 (0.67) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL10049328 0.80 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL28200575 0.80 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL8665089 0.78 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL4141193 0.78 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US claimed
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 US claimed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO claimed
US-6492397-B1 SUCH AS 1-PROPYL-4-BUTYL-1,3-DIHYDRO-3-((5-(2-(1H-TETRAZOL-5-YL)PHENYL)-2 -PYRIDINYL)METHYL)-2H-IMIDAZOL-2-ONE; ANGIO-TENSIN II ANTAGONISTS; CIRCULATORY DISORDERS; HYPERTENSION, CONGESTIVE HEART FAILURE PHARMACIA CORPORATION 2002-12-10 US claimed
US-6451833-B1 ANGIOTENSIN ANTAGONISTS PHARMACIA CORPORATION 2002-09-17 US claimed
US-6090828-A ARTHERIOSCLEROSIS REITZ DAVID B (US) 2000-07-18 US claimed
US-6008368-A USEFUL FOR TREATING HYPERTENSION AND CONGESTIVE HEART FAILURE; NONPEPTIDIC G. D. SEARLE & CO. (US) 1999-12-28 US claimed
US-5861420-A ANGIOTENSIN II ANTAGONISTS G. D. SEARLE & CO. (US) 1999-01-19 US claimed
US-5643906-A LOWERING INTRAOCULAR PRESSURE FOR TREATMENT OF GLAUCOMA G.D. SEARLE & CO. (US) 1997-07-01 US claimed
EP-0508445-A1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP claimed
EP-0508393-A1 N-arylheteroarylalkyl imidazol-2-one compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP claimed
US-5155117-A Hypotensive agents G. D. SEARLE & CO. (US) 1992-10-13 US claimed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO claimed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP claimed
WO-1992015577-A1 N-SUBSTITUTED (ALPHA-IMIDAZOLYL-TOLUYL) PYRROLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-09-17 WO claimed
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US claimed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO claimed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO claimed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 KEAP1 1533/4885ALDH1A1 4174/4885FFAR1 488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.